Thiazole-2-carboxylic acid - CAS 14190-59-1

Catalog:	BB009268
Product Name:	Thiazole-2-carboxylic acid
CAS:	14190-59-1
Synonyms:	1,3-thiazole-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1,3-thiazole-2-carboxylic acid
Description:	Thiazole-2-carboxylic acid (CAS# 14190-59-1) is a useful research chemical.
Molecular Weight:	129.14
Molecular Formula:	C4H3NO2S
Canonical SMILES:	C1=CSC(=N1)C(=O)O
InChI:	InChI=1S/C4H3NO2S/c6-4(7)3-5-1-2-8-3/h1-2H,(H,6,7)
InChI Key:	IJVLVRYLIMQVDD-UHFFFAOYSA-N
Boiling Point:	310.6 ℃ at 760 mmHg
Purity:	98 %
Density:	1.525 g/cm³
Appearance:	White to off-white to light yellow to beige to light brown crystalline powder
MDL:	MFCD02094169
LogP:	0.84130

Publication Number	Title	Priority Date
US-2016096830-A1	Inhibitors of lysine gingipain	20141006
US-2015307507-A1	3-oxo-tetrahydro-furo[3,2-b]pyrrol-4(5h)-yl) derivatives i	20140423
WO-2015161924-A1	3-oxo-tetrahydro-furo[3,2-b]pyrrol-4(5h)-yl) derivatives ii	20140423
WO-2015161928-A1	3-oxo-tetrahydro-furo[3,2-b]pyrrol-4(5h)-yl) derivatives i	20140423
WO-2015140195-A1	Novel compounds	20140320

PMID	Publication Date	Title	Journal
23124461	20121101	2,4-Dimethyl-1,3-thiazole-5-carboxylic acid: an X-ray structural study at 100 K and Hirshfeld surface analysis	Acta crystallographica. Section C, Crystal structure communications
16820043	20060101	Recent developments in our understanding of the renal basis of hyperuricemia and the development of novel antihyperuricemic therapeutics	Arthritis research & therapy
14981641	20040101	Evolution of beetle bioluminescence: the origin of beetle luciferin	Luminescence : the journal of biological and chemical luminescence
11165875	20010201	OPC-compounds prevent oxidant-induced carbonylation and depolymerization of the F-actin cytoskeleton and intestinal barrier hyperpermeability	Free radical biology & medicine

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.98844951
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.98844951
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8